2-(2,4-dimethylquinolin-3-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2,4-dimethylquinolin-3-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2,4-dimethyl-3-quinolyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2,4-dimethyl-3-quinolinyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2,4-dimethylquinolin-3-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2,4-dimethyl-3-quinolyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C24H26FN3O3S MolecularWeight: 455.544943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O3S/c1-17-21-6-3-4-7-23(21)26-18(2)22(17)16-24(29)27-12-5-13-28(15-14-27)32(30,31)20-10-8-19(25)9-11-20/h3-4,6-11H,5,12-16H2,1-2H3